SCHEMBL22494331

SCHEMBL22494331

CC(C)CC(C)n1nc(I)c2c(N)nc(N)nc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.50
RICTOR Q6R327 3/20 0.50
RPTOR Q8N122 3/20 0.50
MAPKAP1 Q9BPZ7 3/20 0.50
MLST8 Q9BVC4 3/20 0.50
PIK3CA P42336 1/20 0.34
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
SLC2A1 P11166 1/20 0.32
DHFR P00374 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22494329 1.00 MTOR (0.50) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL30381902 1.00 MTOR (0.50) MTORRICTORRPTORMAPKAP1MLST8
Oxalic Acid SCHEMBL30095943 0.92 MTOR (0.45) MTORRICTORRPTORMAPKAP1MLST8
Oxalic Acid SCHEMBL30095959 0.92 MTOR (0.45) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL30964192 0.81 MTOR (0.35) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL30414236 0.81 MTOR (0.35) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL4572205 0.73 PIK3CD (0.36) MTORPIK3CA
SCHEMBL30096051 0.72 MTOR (0.54) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL30096023 0.69 MTOR (0.41) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL4572181 0.69 PDE8B (0.39) MTORPIK3CACDK1CDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250042908-A1 SALTS FOR MTOR COMPOUNDS GALDERMA HOLDING S A (CH) 2025-02-06 US disclosed
US-11731973-B2 Substituted pyrazolo[3,4-d]pyrimidines as mTOR inhibitors GALDERMA RESEARCH & DEVELOPMENT (FR) 2023-08-22 US disclosed
EP-3727389-B1 COMPOUNDS AS MTOR INHIBITORS GALDERMA RES & DEV (FR) 2023-05-03 EP disclosed
CN-111918653-A Novel MTOR inhibitor compounds 盖尔德马研究及发展公司 2020-11-10 CN disclosed
EP-3727389-A1 NOVEL MTOR INHIBITOR COMPOUNDS Galderma Research & Development (FR) 2020-10-28 EP disclosed
US-20200317679-A1 NOVEL MTOR INHIBITOR COMPOUNDS GALDERMA RESEARCH & DEVELOPMENT (FR) 2020-10-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200317679-A1 NOVEL MTOR INHIBITOR COMPOUNDS MTOR, RICTOR, RPTOR MTOR 1/4885RICTOR 2/4885RPTOR 3/4885
US-20250042908-A1 SALTS FOR MTOR COMPOUNDS MTOR, RICTOR, PIK3CA MTOR 1/4885RICTOR 2/4885RPTOR 9/4885
US-11731973-B2 Substituted pyrazolo[3,4-d]pyrimidines as mTOR inhibitors MTOR, RICTOR, RPTOR MTOR 1/4885RICTOR 2/4885RPTOR 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.